Structure Database (LMSD)
Common Name
cis-3-Hexenyl pentanoate
Systematic Name
(3Z)-hex-3-en-1-yl pentanoate
Synonyms
3D model of cis-3-Hexenyl pentanoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
XPFTVTFOOTVHIA-ALCCZGGFSA-N
InChi (Click to copy)
InChI=1S/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h5,7H,3-4,6,8-10H2,1-2H3/b7-5-
SMILES (Click to copy)
CC/C=C\CCOC(=O)CCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
211.16
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.36
Molar Refractivity
55.02
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Created at
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Updated at
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